1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol

C19H21N3O3S — CID 51223111

IUPAC1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)CSc1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O3S/c23-16(11-24-12-17-7-4-10-25-17)13-26-19-20-18(14-8-9-14)22(21-19)15-5-2-1-3-6-15/h1-7,10,14,16,23H,8-9,11-13H2
InChIKeyVQNMGUNBIKTLPK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.41
Rot. Bonds9

About 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol

1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 51223111) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID51223111
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1ccco1)CSc1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O3S/c23-16(11-24-12-17-7-4-10-25-17)13-26-19-20-18(14-8-9-14)22(21-19)15-5-2-1-3-6-15/h1-7,10,14,16,23H,8-9,11-13H2
InChIKeyVQNMGUNBIKTLPK-UHFFFAOYSA-N
XLogP3.41
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7420506
(2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7420505
3-benzyl-5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38870378
5-cyclopropyl-3-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-1-phenyl-1,2,4-triazole
CID 60559001
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 7420600
4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(phenoxymethyl)-1,3-thiazole
CID 55987878
ethyl N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate
CID 7420493
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7420611
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole
CID 7420557
N-carbamoyl-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51300780
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7996295
(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 8636040

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol (CID 51223111) is 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol is OC(COCc1ccco1)CSc1nc(C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is VQNMGUNBIKTLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-16(11-24-12-17-7-4-10-25-17)13-26-19-20-18(14-8-9-14)22(21-19)15-5-2-1-3-6-15/h1-7,10,14,16,23H,8-9,11-13H2.
What are the key properties of 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 371.46 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 51223111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).